CID 226969

4,4'-(2-methylpropylidene)bisphenol

Structural Information

Molecular Formula
C16H18O2
SMILES
CC(C)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H18O2/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11,16-18H,1-2H3
InChIKey
ZGZVGZCIFZBNCN-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)-2-methylpropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4990
Patents

242.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.137956 156.1
[M+Na]+ 265.119898 162.2
[M-H]- 241.123404 160.2
[M+NH4]+ 260.164503 172.1
[M+K]+ 281.093838 158.3
[M+H-H2O]+ 225.127940 149.4
[M+HCOO]- 287.128881 175.2
[M+CH3COO]- 301.144531 191.1
[M+Na-2H]- 263.105346 158.3
[M]+ 242.13013142 154.6
[M]- 242.13122858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe